(2R)-2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-(4-thiophen-2-ylphenyl)acetamide

C22H19NO3S2 — CID 142651595

IUPAC(2R)-2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-(4-thiophen-2-ylphenyl)acetamide
SMILESCC#CCOc1ccc(S[C@@H](C(=O)NO)c2ccc(-c3cccs3)cc2)cc1
InChIInChI=1S/C22H19NO3S2/c1-2-3-14-26-18-10-12-19(13-11-18)28-21(22(24)23-25)17-8-6-16(7-9-17)20-5-4-15-27-20/h4-13,15,21,25H,14H2,1H3,(H,23,24)/t21-/m1/s1
InChIKeyOWZZXAHEAAOPBJ-OAQYLSRUSA-N
MW409.53 g/mol
LogP5.16
Rot. Bonds7

About (2R)-2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-(4-thiophen-2-ylphenyl)acetamide

(2R)-2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-(4-thiophen-2-ylphenyl)acetamide (PubChem CID 142651595) has the molecular formula C22H19NO3S2 and a molecular weight of 409.53 g/mol. Its IUPAC name is (2R)-2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-(4-thiophen-2-ylphenyl)acetamide.

Molecular Properties

Compound Name(2R)-2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-(4-thiophen-2-ylphenyl)acetamide
PubChem CID142651595
Molecular FormulaC22H19NO3S2
Molecular Weight409.53 g/mol
Exact Mass409.08
IUPAC Name(2R)-2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-(4-thiophen-2-ylphenyl)acetamide
SMILESCC#CCOc1ccc(S[C@@H](C(=O)NO)c2ccc(-c3cccs3)cc2)cc1
InChIInChI=1S/C22H19NO3S2/c1-2-3-14-26-18-10-12-19(13-11-18)28-21(22(24)23-25)17-8-6-16(7-9-17)20-5-4-15-27-20/h4-13,15,21,25H,14H2,1H3,(H,23,24)/t21-/m1/s1
InChIKeyOWZZXAHEAAOPBJ-OAQYLSRUSA-N
XLogP5.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-phenylacetamide
CID 10268288
2-(4-but-2-ynoxyphenyl)sulfanyl-2-phenylacetic acid
CID 11438364
2-(4-but-2-ynoxyphenyl)sulfinyl-2-(4-ethoxyphenyl)-N-hydroxyacetamide
CID 10200222
ethyl 2-(4-but-2-ynoxyphenyl)sulfanyl-2-naphthalen-1-ylacetate
CID 141025567
4-but-2-ynoxy-N-[(2S)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 59323933
2-(4-but-2-ynoxyphenyl)sulfinyl-N-hydroxyhexanediamide
CID 22633945
2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylsulfanylbutanamide
CID 10271493
2-[[3-cyano-4-(4-methylphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-N-hydroxy-2-phenylacetamide
CID 123877346
3-benzylsulfanyl-2-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]-N-hydroxy-3-methylbutanamide
CID 87612234
2-[(4-but-2-ynoxyphenyl)sulfonylamino]-N-hydroxybutanediamide
CID 10316165
(4-thiophen-2-ylphenyl) acetate
CID 18387761
N-(4-butoxyphenyl)-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 21169729

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-(4-thiophen-2-ylphenyl)acetamide?
The IUPAC name of (2R)-2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-(4-thiophen-2-ylphenyl)acetamide (CID 142651595) is (2R)-2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-(4-thiophen-2-ylphenyl)acetamide.
What is the SMILES notation for (2R)-2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-(4-thiophen-2-ylphenyl)acetamide?
The canonical SMILES for (2R)-2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-(4-thiophen-2-ylphenyl)acetamide is CC#CCOc1ccc(S[C@@H](C(=O)NO)c2ccc(-c3cccs3)cc2)cc1.
What is the InChIKey of (2R)-2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-(4-thiophen-2-ylphenyl)acetamide?
The InChIKey is OWZZXAHEAAOPBJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H19NO3S2/c1-2-3-14-26-18-10-12-19(13-11-18)28-21(22(24)23-25)17-8-6-16(7-9-17)20-5-4-15-27-20/h4-13,15,21,25H,14H2,1H3,(H,23,24)/t21-/m1/s1.
What are the key properties of (2R)-2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-(4-thiophen-2-ylphenyl)acetamide?
(2R)-2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-(4-thiophen-2-ylphenyl)acetamide has a molecular weight of 409.53 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-(4-thiophen-2-ylphenyl)acetamide is sourced from PubChem (CID 142651595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).